1-[(5-amino-2-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol

C13H22N2O2 — CID 79384257

IUPAC1-[(5-amino-2-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol
SMILESCOc1ccc(N)cc1CN(C)CC(C)(C)O
InChIInChI=1S/C13H22N2O2/c1-13(2,16)9-15(3)8-10-7-11(14)5-6-12(10)17-4/h5-7,16H,8-9,14H2,1-4H3
InChIKeyONCZNZKGJJTJJW-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.48
Rot. Bonds5

About 1-[(5-amino-2-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol

1-[(5-amino-2-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol (PubChem CID 79384257) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[(5-amino-2-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-amino-2-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol
PubChem CID79384257
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[(5-amino-2-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol
SMILESCOc1ccc(N)cc1CN(C)CC(C)(C)O
InChIInChI=1S/C13H22N2O2/c1-13(2,16)9-15(3)8-10-7-11(14)5-6-12(10)17-4/h5-7,16H,8-9,14H2,1-4H3
InChIKeyONCZNZKGJJTJJW-UHFFFAOYSA-N
XLogP1.48
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 78927372
2-[(5-amino-2-methoxyphenyl)methyl-methylamino]acetamide
CID 43373789
3-[[benzyl(methyl)amino]methyl]-4-methoxyaniline
CID 43247150
3-(2-amino-2-methylpropyl)-4-methoxyaniline
CID 84665627
4-amino-2-[[(2-methoxyphenyl)methyl-methylamino]methyl]phenol
CID 61419975
3-[[cyclobutylmethyl(methyl)amino]methyl]-4-methoxyaniline
CID 62861974
4-[(5-amino-2-methoxyphenyl)methyl-methylamino]phenol
CID 107733778
4-methoxy-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]aniline
CID 43527900
3-[[2,2-dimethylpropyl(methyl)amino]methyl]-4-methoxybenzoic acid
CID 62019167
1-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 115136999
4-methoxy-3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline
CID 60912676
1-[(3-amino-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 81149954

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-2-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(5-amino-2-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol (CID 79384257) is 1-[(5-amino-2-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(5-amino-2-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(5-amino-2-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol is COc1ccc(N)cc1CN(C)CC(C)(C)O.
What is the InChIKey of 1-[(5-amino-2-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol?
The InChIKey is ONCZNZKGJJTJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(2,16)9-15(3)8-10-7-11(14)5-6-12(10)17-4/h5-7,16H,8-9,14H2,1-4H3.
What are the key properties of 1-[(5-amino-2-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol?
1-[(5-amino-2-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-2-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79384257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).